(4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C18H27N3O2 — CID 20923911

IUPAC(4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCC2)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H27N3O2/c22-18(17-15-8-4-5-9-16(15)23-19-17)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h14H,1-13H2
InChIKeySPCLWELDFHEPSY-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.64
Rot. Bonds2

About (4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 20923911) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
PubChem CID20923911
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCC2)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H27N3O2/c22-18(17-15-8-4-5-9-16(15)23-19-17)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h14H,1-13H2
InChIKeySPCLWELDFHEPSY-UHFFFAOYSA-N
XLogP2.64
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 20923911) is (4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is O=C(c1noc2c1CCCC2)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The InChIKey is SPCLWELDFHEPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(17-15-8-4-5-9-16(15)23-19-17)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h14H,1-13H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 317.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 20923911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).